Molecule

ID:77854

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉N₃
Molecular Mass
229.32076
Exact Mass
229.15789762
Charge
0
InChI
InChI=1S/C14H19N3/c1-13(2)7-14(3,4)11-9(13)5-10-8(12(11)15)6-16-17-10/h5-6H,7,15H2,1-4H3,(H,16,17)
InChIKey
IOJZKUQKQPKIQK-UHFFFAOYSA-N
Canonic Smiles
Nc1c2cn[nH]c2cc2c1C(C)(C)CC2(C)C
Isomeric Smiles
Nc1c2c(cc3c1C(C)(C)CC3(C)C)[nH]nc2
Calculated Properties
JChem
Acid pKa
14.610499
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.6486392
LogD (pH = 7.4)
2.6491926
Log P
2.6491997
Molar Refractivity
71.7021
Polarizability
27.815126
Polar Surface Area
54.7
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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